COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK805520
Chemical Name: ethyl(2E)-3-[(2,4-dichlorophenyl)amino]-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-3-oxopropanoate
Smiles: CCOC(=O)/C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)Nc1ccc(cc1Cl)Cl

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Molecular Weight: 433.33
Empirical Formula: C22H22Cl2N2O3

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 5.849
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 67
Number of rings: 3

     

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